SCHEMBL23158630

SCHEMBL23158630

COc1ccc(-c2cnc(N)c(-c3ccc(NO)cc3)c2)cc1OC(=O)CO

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 7/20 0.61
▸ CHEK1 O14757 2/20 0.61
▸ FYN P06241 12/20 0.59
▸ TGFBR1 P36897 2/20 0.48
▸ AXL P30530 1/20 0.48
▸ MERTK Q12866 1/20 0.48
▸ MAP4K4 O95819 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18861126 0.90 CHEK2 (0.52) CHEK2CHEK1FYNAXLMERTK
SCHEMBL18860414 0.89 CHEK2 (0.66) CHEK2CHEK1FYNTGFBR1
SCHEMBL18860959 0.84 CHEK2 (0.52) CHEK2CHEK1FYNAXLMERTK
SCHEMBL23158768 0.81 CHEK2 (0.55) CHEK2CHEK1FYNTGFBR1
SCHEMBL18861081 0.81 CHEK2 (0.55) CHEK2CHEK1FYNTGFBR1AXL
SCHEMBL18861183 0.81 CHEK1 (0.48) CHEK2CHEK1FYNAXLMERTK
SCHEMBL18860437 0.77 FYN (0.69) CHEK2CHEK1FYNTGFBR1
SCHEMBL23158772 0.77 AXL (0.47) CHEK2CHEK1FYNAXLMERTK
SCHEMBL19048404 0.76 CHEK2 (0.65) CHEK2CHEK1FYNTGFBR1
SCHEMBL30521707 0.75 FYN (1.00) CHEK2CHEK1FYNTGFBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 — — EP disclosed
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